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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Sgk1' and Ligand = 'BDBM50043932'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043932
PNG
(CHEMBL3356027)
Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)-c1ccc2c(N)n[nH]c2c1)C#N
Show InChI InChI=1S/C21H17N5O2S/c1-13-2-3-14(12-22)10-20(13)29(27,28)26-17-7-4-15(5-8-17)16-6-9-18-19(11-16)24-25-21(18)23/h2-11,26H,1H3,(H3,23,24,25)
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PC cid
PC sid
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Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50043932
PNG
(CHEMBL3356027)
Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)-c1ccc2c(N)n[nH]c2c1)C#N
Show InChI InChI=1S/C21H17N5O2S/c1-13-2-3-14(12-22)10-20(13)29(27,28)26-17-7-4-15(5-8-17)16-6-9-18-19(11-16)24-25-21(18)23/h2-11,26H,1H3,(H3,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.97E+3n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence...


ACS Med Chem Lett 6: 73-8 (2015)


Article DOI: 10.1021/ml5003376
BindingDB Entry DOI: 10.7270/Q28S4RJT
More data for this
Ligand-Target Pair